[email protected]
CAS 1036262-52-8 cis-2,4-Bis-hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1036262-52-8

cis-2,4-Bis-hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester

  • Product code: SSC-005194
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1036262-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Hong Kong Inquiry

1036262-52-8 / tert-butyl (2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate

cis-tert-Butyl 2,4-bis(hydroxymethyl)azetidine-1-carboxylate | tert-butyl cis-2,4-bis(hydroxymethyl)azetidine-1-carboxylate | 1-Azetidinecarboxylic acid, 2,4-bis(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,4S)-

Standard CAS: 1036262-52-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1036262-52-8
Multi CAS
Yes
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)N1[C@H](C[C@H]1CO)CO
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7(5-12)4-8(11)6-13/h7-8,12-13H,4-6H2,1-3H3/t7-,8+
InChIKey
ZEVITVQAVGWZKZ-OCAPTIKFSA-N
Synonyms
cis-tert-Butyl 2,4-bis(hydroxymethyl)azetidine-1-carboxylate tert-butyl cis-2,4-bis(hydroxymethyl)azetidine-1-carboxylate 1-Azetidinecarboxylic acid, 2,4-bis(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,4S)- MFCD30163274 tert-butyl (2R,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.44
TPSA
70

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
Consensus LogP
0.22
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us